SCHEMBL963382

SCHEMBL963382

CCOC(=O)C1(CC)CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.51
SMYD3 Q9H7B4 1/20 0.43
POLB P06746 1/20 0.39
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.34
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
LMNA P02545 2/20 0.33
SLC22A1 O15245 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL1282849 0.98 OPRM1 (0.50) OPRM1SMYD3POLBSLC6A4SLC6A2
SCHEMBL13118615 0.89 OPRM1 (0.45) OPRM1SMYD3POLBSLC6A4SLC6A2
Trifluoroacetic Acid SCHEMBL1309429 0.89 OPRM1 (0.47) OPRM1SMYD3POLBSLC6A4SLC6A2
SCHEMBL13268736 0.87 OPRM1 (0.50) OPRM1SMYD3POLBSLC6A4SLC6A2
SCHEMBL2295307 0.86 ALDH1A1 (0.42) OPRM1POLBSLC6A4KMT2AKDM4E
Hydrochloric Acid SCHEMBL20137680 0.85 OPRM1 (0.49) OPRM1SMYD3POLBSLC6A4SLC6A2
SCHEMBL390562 0.85 OPRM1 (0.49) OPRM1SMYD3POLBSLC6A4SLC6A2
SCHEMBL13269452 0.85 OPRM1 (0.49) OPRM1SMYD3POLBSLC6A4SLC6A2
Tert-Butyl Formate SCHEMBL27987603 0.85 OPRM1 (0.44) OPRM1SMYD3POLBSLC6A4SLC6A2
SCHEMBL13269316 0.84 OPRM1 (0.48) OPRM1SMYD3POLBSLC6A4SLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9662339-B2 Benzodioxane inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-30 US disclosed
US-9662339-B2 Benzodioxane inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-30 US disclosed
EP-2970331-B1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2017-05-17 EP disclosed
EP-2822942-B1 BENZODIOXANES FOR INHIBITING LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2017-05-10 EP disclosed
EP-2822941-B1 BENZODIOXANES IN COMBINATION WITH STATINS FOR INHIBITING LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2017-05-10 EP disclosed
US-9605000-B2 Spiro azetidine isoxazole derivatives and their use as SSTR antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-28 US disclosed
US-20160060273-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-03 US disclosed
US-9266867-B2 Piperidinyl monocarboxylic acids as S1P1 receptor agonists BIOPROJET (FR) 2016-02-23 US disclosed
EP-2970331-A1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2016-01-20 EP disclosed
US-9133146-B2 Benzodioxane inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-15 US disclosed
WO-2012140020-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2012-10-18 WO disclosed
WO-2012140020-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2012-10-18 WO disclosed
EP-2511275-A1 Novel piperidinyl monocarboxylic acids as S1P1 receptor agonists BIOPROJET (FR) 2012-10-17 EP disclosed
EP-2511275-A1 Novel piperidinyl monocarboxylic acids as S1P1 receptor agonists BIOPROJET (FR) 2012-10-17 EP disclosed
WO-2012125598-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-20 WO disclosed
EP-2454270-A2 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS Hetero Research Foundation (IN) 2012-05-23 EP disclosed
WO-2011007230-A2 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 WO disclosed
WO-2011007230-A2 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 WO disclosed
US-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 US disclosed
US-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 OPRM1 661/4885SMYD3 2026/4885POLB 4861/4885
US-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS MAVS, IRF3, LSS OPRM1 1598/4885SMYD3 4193/4885POLB 930/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.